methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate

C20H19NO5 — CID 15280381

IUPACmethyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C20H19NO5/c1-13-17(21-19(26-13)15-6-4-3-5-7-15)12-25-16-10-8-14(9-11-16)18(22)20(23)24-2/h3-11,18,22H,12H2,1-2H3
InChIKeyJTCAIXOUMHHBRZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.44
Rot. Bonds6

About methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate

methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate (PubChem CID 15280381) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
PubChem CID15280381
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C20H19NO5/c1-13-17(21-19(26-13)15-6-4-3-5-7-15)12-25-16-10-8-14(9-11-16)18(22)20(23)24-2/h3-11,18,22H,12H2,1-2H3
InChIKeyJTCAIXOUMHHBRZ-UHFFFAOYSA-N
XLogP3.44
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10714801
methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
CID 46837096
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417
methyl 3-(ethoxyamino)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]but-2-enoate
CID 90967922
methyl (2S)-2-ethoxy-3-[2-fluoro-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoate
CID 69279897
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51336962
ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
CID 86750133
ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
CID 141039508
(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate (CID 15280381) is methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate is COC(=O)C(O)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate?
The InChIKey is JTCAIXOUMHHBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-17(21-19(26-13)15-6-4-3-5-7-15)12-25-16-10-8-14(9-11-16)18(22)20(23)24-2/h3-11,18,22H,12H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate?
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate has a molecular weight of 353.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 15280381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).